CID 490555

N-(4-phenoxyphenyl)cycloheptanamine

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CCCC(CC1)NC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-2-5-9-16(8-4-1)20-17-12-14-19(15-13-17)21-18-10-6-3-7-11-18/h3,6-7,10-16,20H,1-2,4-5,8-9H2
InChIKey
QISSIUXOCYHSDU-UHFFFAOYSA-N
Compound name
N-(4-phenoxyphenyl)cycloheptanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.17798 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 167.3
[M+Na]+ 304.16720 168.7
[M-H]- 280.17070 176.2
[M+NH4]+ 299.21180 180.9
[M+K]+ 320.14114 168.9
[M+H-H2O]+ 264.17524 159.7
[M+HCOO]- 326.17618 187.5
[M+CH3COO]- 340.19183 176.8
[M+Na-2H]- 302.15265 171.1
[M]+ 281.17743 159.4
[M]- 281.17853 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.